Acetoacetic Acid

Acetoacetic Acid

SCHEMBL6899783

CC(=O)CC(=O)O.CCOC(=O)C(C)C(C)=O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 4/20 0.37
MGAM O43451 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
EGLN1 Q9GZT9 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
CYP2D6 P10635 2/20 0.34
KDM4E B2RXH2 2/20 0.33
MMP8 P22894 2/20 0.33
KDM6B O15054 1/20 0.33
KDM5C P41229 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2169170 0.85 ALDH1A1 (0.50) ALDH1A1HPGDLMNAHSD17B10GAA
SCHEMBL41804 0.85 ALDH1A1 (0.50) ALDH1A1HPGDLMNAHSD17B10GAA
SCHEMBL28280411 0.83 ALDH1A1 (0.48) ALDH1A1HPGDLMNAHSD17B10GAA
Ethane SCHEMBL29036071 0.83 ALDH1A1 (0.48) ALDH1A1HPGDLMNAHSD17B10GAA
SCHEMBL17433679 0.83 ALDH1A1 (0.48) ALDH1A1HPGDLMNAHSD17B10GAA
SCHEMBL8800736 0.83 ALDH1A1 (0.48) ALDH1A1HPGDLMNAHSD17B10GAA
Acetoacetic Acid SCHEMBL7727660 0.81 KDM4E (0.42) ALDH1A1LMNAGAAMGAMSI
SCHEMBL5149633 0.79 ALDH1A1 (0.44) ALDH1A1HPGDLMNAHSD17B10GAA
T-Butylacetic Acid SCHEMBL28287646 0.78 ALDH1A1 (0.37) ALDH1A1HPGDLMNAHSD17B10GAA
SCHEMBL5148157 0.78 ALDH1A1 (0.42) ALDH1A1HPGDLMNAHSD17B10GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004314060-A COATING FILM FORMING METHOD KANSAI PAINT CO LTD 2004-11-11 JP disclosed
JP-2004318111-A COLORED PHOTOSENSITIVE RESIN COMPOSITION SUMITOMO CHEM CO LTD 2004-11-11 JP disclosed